Basic information
- CAS
455-60-7- Standard SMILES
CCCCC(NC(=O)C(F)(F)F)C(=O)O- InChIKey
IJXFNXFOHXPLNJ-UHFFFAOYSA-N- Molecular formula
- C8H12F3NO3
- Average molar mass
- 227.18 g/mol
- Monoisotopic mass
- 227.07692773
Names & identifiers
- Preferred name
- 2-[(2,2,2-Trifluoroacetyl)amino]hexanoic acid
- IUPAC
- 2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
Names & synonyms
2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid455-60-72-(trifluoroacetamido)hexanoic acidNSC192716N-(trifluoroacetyl)norleucinetrifluoroacetylaminocaproic acidSCHEMBL1236443DTXSID30307554N-Trifluoroacetyl aminocaproic acidNSC-192716(2,2,2-trifluoro-acetylamino)-hexanoic acidEN300-937636
Database identifiers
- CAS
455-60-7- PubChem CID
- 303590
- DTXSID
DTXSID30307554
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
8 records
Compound notes
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